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arXiv:cond-mat/9702214 · Journal of the Physical Society of Japan

Numerical Study of a Superconductor-Insulator Transition in a Half-Filled Hubbard Chain with Distant Transfers

Kazuhiko Kuroki, Ryotaro Arita, Hideo Aoki

Published Nov 15, 1997• 29 citations
arXivHTMLPDF

Abstract

The ground state of a one-dimensional Hubbard model having the next-nearest neighbor hopping (t') as well as the nearest-neighbor one (t) is numerically investigated at half-filling. A quantum Monte Carlo result shows a slowly decaying pairing correlation for a sizeable interaction strength $(U \leq 2t)$, while the system is shown to become insulating for yet larger $U>U_C\sim 3t$ from a direct evaluation of the charge gap with the density-matrix renormalization group method. The results are consistent with Fabrizio's recent weak-coupling theory which suggests a transition from a superconductor into an insulator at a finite U.

DOI
10.1143/jpsj.66.3371

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The ground state of a one-dimensional Hubbard model having the next-nearest neighbor hopping (t') as well as the nearest-neighbor one (t) is numerically investigated at half-filling. A quantum Monte Carlo result shows a slowly decaying pairing correlation for a sizeable interaction strength (U≤2t)(U \leq 2t)(U≤2t), while the system is shown to become insulating for yet larger U>UC∼3tU>U_C\sim 3tU>UC​∼3t from a direct evaluation of the charge gap with the density-matrix renormalization group method. The results are consistent with Fabrizio's recent weak-coupling theory which suggests a transition from a superconductor into an insulator at a finite U.
We investigate the ground-state phase diagram of the half-filled one-dimensional Hubbard model with next-nearest-neighbor hopping using the density-matrix renormalization-group technique as well as an unrestricted Hartree-Fock approximation. We find commensurate and incommensurate disordered magnetic insulating phases and a spin-gapped metallic phase in addition to the one-dimensional Heisenberg phase. At large on-site Coulomb repulsion U, we make contact with the phase diagram of the frustrated Heisenberg chain, which has spin-gapped phases for sufficiently large frustration. For weak U, sufficiently large next-nearest-neighbor hopping t2{t}_{2}t2​ leads to a band structure with four Fermi points rather than two, producing a spin-gapped metallic phase. As U is increased in this regime, the system undergoes a Mott-Hubbard transition to a frustrated antiferromagnetic insulator.
We study the quantum phase transition from an insulator to a metal realized at ${t}^{\ensuremath{'}}={t}_{c}^{\ensuremath{'}}>0.5t$ in the ground state of the half-filled Hubbard chain with both nearest-neighbor (t)(t)(t) and next-nearest-neighbor $({t}^{\ensuremath{'}})$ hopping. The study is carried out using the bosonization approach and density-matrix renormalization-group calculations. An effective low-energy Hamiltonian that describes the insulator-metal transition is derived. We find that the gross features of the phase diagram are well described by the standard theory of commensurate-incommensurate transitions in a wide range of parameters. We also obtain an analytical expression for the insulator-metal transition line ${t}_{c}^{\ensuremath{'}}(U,t)$. We present results of density-matrix-renormalization-group calculations of spin and charge distribution in various sectors of the phase diagram. The numerical results support the picture derived from the effective theory and give evidence for the complete separation of the transitions involving spin and charge degrees of freedom.
The spin gap of a one-dimensional repulsive Hubbard model is numerically calculated with the density-matrix renormalization group, with a special emphasis on the effect of a next-nearest-neighbor hopping ${(t}^{\ensuremath{'}})$ and the nearest-neighbor ferromagnetic exchange (J)(J)(J) interaction. At half filling, a significant spin gap opens if $|{t}^{\ensuremath{'}}|\ensuremath{\simeq}|t|$ and J=0J=0J=0, in agreement with the weak-coupling theory, while the gap is strongly suppressed by the introduction of JJJ. On the other hand, the quarter-filled system has very small spin gaps regardless of the values of ${t}^{\ensuremath{'}}$ and JJJ. Implications for the CuO2{\mathrm{CuO}}_{2}CuO2​ chain in Sr14Cu24O41{\mathrm{Sr}}_{14}{\mathrm{Cu}}_{24}{\mathrm{O}}_{41}Sr14​Cu24​O41​ and related materials are discussed.
We study the quantum phase transition from an insulator to a metal realized at t'=t'_c > 0.5t in the ground state of the half-filled Hubbard chain with both nearest-neighbor (t) and next-nearest-neighbor (t') hopping. The study is carried out using the bosonization approach and density matrix renormalization group calculations. An effective low-energy Hamiltonian that describes the insulator-metal transition is derived. We find that the gross features of the phase diagram are well-described by the standard theory of commensurate-incommensurate transitions in a wide range of parameters. We also obtain an analytical expression for the insulator-metal transition line t'_c(U,t). We argue that close to the insulator-metal transition line, a crossover to a regime corresponding to an infinite-order transition takes place.We present results of density-matrix-renormalization-group calculations of spin and charge distribution in various sectors of the phase diagram. The numerical results support the picture derived from the effective theory and give evidence for the complete separation of the transitions involving spin and charge degrees of freedom.
We study finite-temperature transport properties of the one-dimensional Hubbard model using the density matrix renormalization group. Our aim is twofold: First, we compute both the charge- and the spin-current correlation function of the integrable model at half filling. The former decays rapidly, implying that the corresponding Drude weight is either zero or very small. Second, we calculate the optical charge conductivity ${\ensuremath{\sigma}}_{r}eg(\ensuremath{\omega})$ in the presence of small integrability-breaking next-nearest-neighbor interactions (the extended Hubbard model). The dc conductivity is finite and diverges as the temperature is decreased below the gap. Our results thus suggest that the half-filled, gapped Hubbard model is a normal charge conductor at finite temperatures. As a test bed for our numerics, we compute ${\ensuremath{\sigma}}_{r}eg(\ensuremath{\omega})$ for the integrable XXZ spin chain in its gapped phase.
We consider a generalized Hubbard model with on-site interaction U, nearest-neighbor repulsion V, and nearest-neighbor hopping for spin \ensuremath{\sigma}, which depends on the sum of particles ${\mathrm{m}}_{\mathrm{\ensuremath{\sigma}}\ensuremath{-}|\mathrm{A}\mathrm{m}}$ with opposite spin in the two sites involved. The hopping matrix elements are denoted by tAA{\mathrm{t}}_{\mathrm{AA}}tAA​,tAB{\mathrm{t}}_{\mathrm{AB}}tAB​,tBB{\mathrm{t}}_{\mathrm{BB}}tBB​ for ${\mathrm{m}}_{\mathrm{\ensuremath{\sigma}}\ensuremath{-}|\mathrm{A}\mathrm{m}}$=0,1,2, respectively. For 0tAB{\mathrm{t}}_{\mathrm{AB}}tAB​tAA{\mathrm{t}}_{\mathrm{AA}}tAA​=tBB{\mathrm{t}}_{\mathrm{BB}}tBB​, we have determined the regions of parameters for which the ground-state (GS) of the one-dimensional system is a charge-density wave (CDW), a spin-density wave (SDW), or a metal (M), using Hartree-Fock, exact diagonalization of finite chains and quantum Monte Carlo. The results agree qualitatively with the exactly solvable limit of tAB{\mathrm{t}}_{\mathrm{AB}}tAB​=0. For 0tAB{\mathrm{t}}_{\mathrm{AB}}tAB​tAA{\mathrm{t}}_{\mathrm{AA}}tAA​=tBB{\mathrm{t}}_{\mathrm{BB}}tBB​, the GS is a M for sufficiently low values of U and V. In contrast, when tAA{\mathrm{t}}_{\mathrm{AA}}tAA​+tBB{\mathrm{t}}_{\mathrm{BB}}tBB​-2tAB{2\mathrm{t}}_{\mathrm{AB}}2tAB​=0, our results suggest that the GS is either a CDW or a SDW, with the boundary between them lying near the line U=2V.